6-bromo-2,4-dimethyl-1,2-dihydropyridin-3-ol

C7H10BrNO — CID 86341682

IUPAC6-bromo-2,4-dimethyl-1,2-dihydropyridin-3-ol
SMILESCC1=C(O)C(C)NC(Br)=C1
InChIInChI=1S/C7H10BrNO/c1-4-3-6(8)9-5(2)7(4)10/h3,5,9-10H,1-2H3
InChIKeyAMWSIUMWSJKEIE-UHFFFAOYSA-N
MW204.07 g/mol
LogP2.05
Rot. Bonds

About 6-bromo-2,4-dimethyl-1,2-dihydropyridin-3-ol

6-bromo-2,4-dimethyl-1,2-dihydropyridin-3-ol (PubChem CID 86341682) has the molecular formula C7H10BrNO and a molecular weight of 204.07 g/mol. Its IUPAC name is 6-bromo-2,4-dimethyl-1,2-dihydropyridin-3-ol.

Molecular Properties

Compound Name6-bromo-2,4-dimethyl-1,2-dihydropyridin-3-ol
PubChem CID86341682
Molecular FormulaC7H10BrNO
Molecular Weight204.07 g/mol
Exact Mass202.99
IUPAC Name6-bromo-2,4-dimethyl-1,2-dihydropyridin-3-ol
SMILESCC1=C(O)C(C)NC(Br)=C1
InChIInChI=1S/C7H10BrNO/c1-4-3-6(8)9-5(2)7(4)10/h3,5,9-10H,1-2H3
InChIKeyAMWSIUMWSJKEIE-UHFFFAOYSA-N
XLogP2.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,4-dimethyl-1,2-dihydropyridin-3-ol?
The IUPAC name of 6-bromo-2,4-dimethyl-1,2-dihydropyridin-3-ol (CID 86341682) is 6-bromo-2,4-dimethyl-1,2-dihydropyridin-3-ol.
What is the SMILES notation for 6-bromo-2,4-dimethyl-1,2-dihydropyridin-3-ol?
The canonical SMILES for 6-bromo-2,4-dimethyl-1,2-dihydropyridin-3-ol is CC1=C(O)C(C)NC(Br)=C1.
What is the InChIKey of 6-bromo-2,4-dimethyl-1,2-dihydropyridin-3-ol?
The InChIKey is AMWSIUMWSJKEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNO/c1-4-3-6(8)9-5(2)7(4)10/h3,5,9-10H,1-2H3.
What are the key properties of 6-bromo-2,4-dimethyl-1,2-dihydropyridin-3-ol?
6-bromo-2,4-dimethyl-1,2-dihydropyridin-3-ol has a molecular weight of 204.07 g/mol, XLogP of 2.05, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,4-dimethyl-1,2-dihydropyridin-3-ol is sourced from PubChem (CID 86341682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).